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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H20N2O4S
Molecular Weight 372.438
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N,O-Tridesmethyl diltiazem

SMILES

CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(CCN)C1=O)C3=CC=C(O)C=C3

InChI

InChIKey=HLUHIUIPTZZNFN-MSOLQXFVSA-N
InChI=1S/C19H20N2O4S/c1-12(22)25-17-18(13-6-8-14(23)9-7-13)26-16-5-3-2-4-15(16)21(11-10-20)19(17)24/h2-9,17-18,23H,10-11,20H2,1H3/t17-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H20N2O4S
Molecular Weight 372.438
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:47:11 GMT 2023
Edited
by admin
on Sat Dec 16 19:47:11 GMT 2023
Record UNII
D7VZ5JY7MT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N,O-Tridesmethyl diltiazem
Systematic Name English
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-(2-aminoethyl)-2,3-dihydro-2-(4-hydroxyphenyl)-, (2S,3S)
Systematic Name English
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-(2-aminoethyl)-2,3-dihydro-2-(4-hydroxyphenyl)-, (2S-cis)
Systematic Name English
(2S,3S)-3-(Acetyloxy)-5-(2-aminoethyl)-2,3-dihydro-2-(4-hydroxyphenyl)-1,5-benzothiazepin-4(5H)-one
Systematic Name English
Code System Code Type Description
CAS
159734-23-3
Created by admin on Sat Dec 16 19:47:11 GMT 2023 , Edited by admin on Sat Dec 16 19:47:11 GMT 2023
PRIMARY
FDA UNII
D7VZ5JY7MT
Created by admin on Sat Dec 16 19:47:11 GMT 2023 , Edited by admin on Sat Dec 16 19:47:11 GMT 2023
PRIMARY
PUBCHEM
71752721
Created by admin on Sat Dec 16 19:47:11 GMT 2023 , Edited by admin on Sat Dec 16 19:47:11 GMT 2023
PRIMARY